Geometry & MOs

Info

ID:	427657
PubChem CID:	135160996
Reduced:	F2O2N5C17H19 (1)
Stoich.:	A2B2C5D17E19 (1)
Weight, g/mol:	297.138974
ΔH_f, kcal/mol:	-83.73
Dipole, Da:	6.11
IP(EA), eV:	-8.89(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-ethyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

COC(=NCC1=CC=CC=C1F)/C=C(/C2=NC=C(C(=N2)NCCO)F)\N

DOS

IR

Vibrations